5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one

C17H29N5O — CID 53300808

IUPAC5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1CC1CCCCC1
InChIInChI=1S/C17H29N5O/c1-3-4-12-22-16(18-19-20-22)17(2)11-10-15(23)21(17)13-14-8-6-5-7-9-14/h14H,3-13H2,1-2H3
InChIKeyIXFXNPDSYJSOHL-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.89
Rot. Bonds6

About 5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one

5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one (PubChem CID 53300808) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one
PubChem CID53300808
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1CC1CCCCC1
InChIInChI=1S/C17H29N5O/c1-3-4-12-22-16(18-19-20-22)17(2)11-10-15(23)21(17)13-14-8-6-5-7-9-14/h14H,3-13H2,1-2H3
InChIKeyIXFXNPDSYJSOHL-UHFFFAOYSA-N
XLogP2.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-Butyltetrazol-5-yl)-5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 53300805
5-(1-Butyltetrazol-5-yl)-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one
CID 53300806
5-(1-Butyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one
CID 53300811
1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(1-ethylpiperidin-4-yl)ethanone
CID 164634224
[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
CID 164637932
cyclopentyl-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 164639786
4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-methylcyclohexyl)butanamide
CID 21295287
N-(cyclohexylmethyl)-N-ethyl-5-(1-methyltetrazol-5-yl)pentanamide
CID 21295396
1-Tert-butyl-4-[2-methyl-2-(1-methyltetrazol-5-yl)propyl]pyrrolidin-2-one
CID 126684345
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]butanamide
CID 25450009
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]butanamide
CID 25450013
N-methyl-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-[(1-methyl-2-pyrrolidinyl)methyl]butanamide
CID 45222730

Frequently Asked Questions

What is the IUPAC name of 5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one (CID 53300808) is 5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one is CCCCn1nnnc1C1(C)CCC(=O)N1CC1CCCCC1.
What is the InChIKey of 5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one?
The InChIKey is IXFXNPDSYJSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-3-4-12-22-16(18-19-20-22)17(2)11-10-15(23)21(17)13-14-8-6-5-7-9-14/h14H,3-13H2,1-2H3.
What are the key properties of 5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one?
5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one has a molecular weight of 319.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyltetrazol-5-yl)-1-(cyclohexylmethyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).